CAS RN: 6704-40-1
3-Hydroxy-2-naphthoic Acid 2-Chloroanilide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-176707
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
6704-40-1 / N-(2-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
Basic Information
CAS
6704-40-1
Multi CAS
No
Molecular Formula
C17H12CLNO2
Molecular Weight
297.700000
Exact Mass
297.055656
InChI
InChI=1S/C17H12ClNO2/c18-14-7-3-4-8-15(14)19-17(21)13-9-11-5-1-2-6-12(11)10-16(13)20/h1-10,20H,(H,19,21)
InChIKey
KLNUTTQQHSRBIE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
16
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
85.02
TPSA
49.33
LogP / Solubility
WLOGP
4.45
MLOGP
3.93
XLogP3
4.8
Consensus LogP
4.39
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
